(3Z,6S)-3-[(4-nitro-1H-indol-3-yl)methylidene]-6-(phenylmethyl)piperazine-2,5-dione

Systemtic Name: (3Z,6S)-3-[(4-nitro-1H-indol-3-yl)methylidene]-6-(phenylmethyl)piperazine-2,5-dione Openeye Name: (3S,6Z)-3-benzyl-6-[(4-nitro-1H-indol-3-yl)methylene]piperazine-2,5-dione CAS Name: (3Z,6S)-3-[(4-nitro-1H-indol-3-yl)methylidene]-6-(phenylmethyl)piperazine-2,5-dione IUPAC Name: (3S,6Z)-3-benzyl-6-[(4-nitro-1H-indol-3-yl)methylidene]piperazine-2,5-dione Traditional Name: (3S,6Z)-3-benzyl-6-[(4-nitro-1H-indol-3-yl)methylene]piperazine-2,5-quinone Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(=O)NC(=CC3=CNC4=C3C(=CC=C4)[N+](=O)[O-])C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)C[C@H]2C(=O)N/C(=C\C3=CNC4=C3C(=CC=C4)[N+](=O)[O-])/C(=O)N2

InChI

InChI=1S/C20H16N4O4/c25-19-15(9-12-5-2-1-3-6-12)22-20(26)16(23-19)10-13-11-21-14-7-4-8-17(18(13)14)24(27)28/h1-8,10-11,15,21H,9H2,(H,22,26)(H,23,25)/b16-10-/t15-/m0/s1